N-[(1Z)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine

• ChemBase ID: 120067
• Molecular Formular: C12H12N2O
• Molecular Mass: 200.23648
• Monoisotopic Mass: 200.09496301
• SMILES: c12[nH]c3c(c1CCC/C/2=N/O)cccc3
• Canonical SMILES: O/N=C\1/CCCc2c1[nH]c1c2cccc1
• InChI: InChI=1S/C12H12N2O/c15-14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,13,15H,3,5,7H2/b14-11-
• InChIKey: KQJSIMCYBGAJEF-KAMYIIQDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1Z)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(1Z)-2,3,4,9-tetrahydrocarbazol-1-ylidene]hydroxylamine
• Synonyms: (Z)-2,3,4,9-tetrahydro-1H-carbazol-1-one oxime

Database IDs

• PubChem SID: 162214420
• PubChem CID: 5348229

CALCULATED PROPERTIES

• Acid pKa: 12.673278
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3082721
• LogD (pH = 7.4): 2.3093514
• Log P: 2.3093677
• Molar Refractivity: 59.1124 cm^3
• Polarizability: 23.52476 Å^3
• Polar Surface Area: 48.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true